3-fluoro-5-piperazin-1-ylquinoline

C13H14FN3 — CID 21073301

IUPAC3-fluoro-5-piperazin-1-ylquinoline
SMILESFc1cnc2cccc(N3CCNCC3)c2c1
InChIInChI=1S/C13H14FN3/c14-10-8-11-12(16-9-10)2-1-3-13(11)17-6-4-15-5-7-17/h1-3,8-9,15H,4-7H2
InChIKeyAAOCNHZOCZIWKA-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.78
Rot. Bonds1

About 3-fluoro-5-piperazin-1-ylquinoline

3-fluoro-5-piperazin-1-ylquinoline (PubChem CID 21073301) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-fluoro-5-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-fluoro-5-piperazin-1-ylquinoline
PubChem CID21073301
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name3-fluoro-5-piperazin-1-ylquinoline
SMILESFc1cnc2cccc(N3CCNCC3)c2c1
InChIInChI=1S/C13H14FN3/c14-10-8-11-12(16-9-10)2-1-3-13(11)17-6-4-15-5-7-17/h1-3,8-9,15H,4-7H2
InChIKeyAAOCNHZOCZIWKA-UHFFFAOYSA-N
XLogP1.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-piperazin-1-ylquinoline?
The IUPAC name of 3-fluoro-5-piperazin-1-ylquinoline (CID 21073301) is 3-fluoro-5-piperazin-1-ylquinoline.
What is the SMILES notation for 3-fluoro-5-piperazin-1-ylquinoline?
The canonical SMILES for 3-fluoro-5-piperazin-1-ylquinoline is Fc1cnc2cccc(N3CCNCC3)c2c1.
What is the InChIKey of 3-fluoro-5-piperazin-1-ylquinoline?
The InChIKey is AAOCNHZOCZIWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-10-8-11-12(16-9-10)2-1-3-13(11)17-6-4-15-5-7-17/h1-3,8-9,15H,4-7H2.
What are the key properties of 3-fluoro-5-piperazin-1-ylquinoline?
3-fluoro-5-piperazin-1-ylquinoline has a molecular weight of 231.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-piperazin-1-ylquinoline is sourced from PubChem (CID 21073301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).